N-[4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide

C24H23F3N2O4 — CID 55782396

About N-[4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide

N-[4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide (PubChem CID 55782396) has the molecular formula C24H23F3N2O4 and a molecular weight of 460.45 g/mol. Its IUPAC name is N-[4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
• PubChem CID: 55782396
• Molecular Formula: C24H23F3N2O4
• Molecular Weight: 460.45 g/mol
• Exact Mass: 460.16
• IUPAC Name: N-[4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
• SMILES: Cc1cc2occ(CC(=O)Nc3ccc(NC(=O)C4CCCO4)cc3C(F)(F)F)c2cc1C
• InChI: InChI=1S/C24H23F3N2O4/c1-13-8-17-15(12-33-21(17)9-14(13)2)10-22(30)29-19-6-5-16(11-18(19)24(25,26)27)28-23(31)20-4-3-7-32-20/h5-6,8-9,11-12,20H,3-4,7,10H2,1-2H3,(H,28,31)(H,29,30)
• InChIKey: OWUMEVNGBZKSGX-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 80.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.45
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide?

The IUPAC name of N-[4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide (CID 55782396) is N-[4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide.

What is the SMILES notation for N-[4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide?

The canonical SMILES for N-[4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide is Cc1cc2occ(CC(=O)Nc3ccc(NC(=O)C4CCCO4)cc3C(F)(F)F)c2cc1C.

What is the InChIKey of N-[4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide?

The InChIKey is OWUMEVNGBZKSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O4/c1-13-8-17-15(12-33-21(17)9-14(13)2)10-22(30)29-19-6-5-16(11-18(19)24(25,26)27)28-23(31)20-4-3-7-32-20/h5-6,8-9,11-12,20H,3-4,7,10H2,1-2H3,(H,28,31)(H,29,30).

What are the key properties of N-[4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide?

N-[4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide has a molecular weight of 460.45 g/mol, XLogP of 5.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 55782396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).